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125173-77-5 | Pentanamide, 5-(9-acridinylamino)-N-[4-[bis(2-chloroethyl)amino]phenyl]-
CAS No: 125173-77-5 Catalog No: AG000NAY MDL No:
Product Description
Catalog Number:
AG000NAY
Chemical Name:
Pentanamide, 5-(9-acridinylamino)-N-[4-[bis(2-chloroethyl)amino]phenyl]-
CAS Number:
125173-77-5
Molecular Formula:
C28H30Cl2N4O
Molecular Weight:
509.4700
IUPAC Name:
5-(acridin-9-ylamino)-N-[4-[bis(2-chloroethyl)amino]phenyl]pentanamide
InChI:
InChI=1S/C28H30Cl2N4O/c29-16-19-34(20-17-30)22-14-12-21(13-15-22)32-27(35)11-5-6-18-31-28-23-7-1-3-9-25(23)33-26-10-4-2-8-24(26)28/h1-4,7-10,12-15H,5-6,11,16-20H2,(H,31,33)(H,32,35)
InChI Key:
AGZNWCVKATXLIR-UHFFFAOYSA-N
SMILES:
ClCCN(c1ccc(cc1)NC(=O)CCCCNc1c2ccccc2nc2c1cccc2)CCCl
Properties
Complexity:
602
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
508.18g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
509.475g/mol
Monoisotopic Mass:
508.18g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
57.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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